Derivation of dynamic electric and magnetic response properties based on the quasienergy derivative method

摘要

We present a response theory based on the quasienergy derivative (QED) method in which not only the electric dipole interaction but also the magnetic dipole and diamagnetic interactions are considered as interactions between a (spin-and orbit-nondegenerate) molecular system and a time-dependent electromagnetic field. The QED method-based systematic derivation of dynamic electric and magnetic response properties in an exact theory and two approximate models (time-dependent Hartree-Fock (TDHF) and (orbital-nonrelaxed) coupled-cluster (CC) theories) is shown. Among dynamic electric and magnetic response properties, we present the explicit derivation of electric dipole-magnetic dipole polarizability (G_(a,e)(—ω_1;ω_1)), magnetizability (χ_(EF)(—ω_1;ω_1)), and hypermagnetizability (η_(AB, EF)(—ω_σ; ω_1, ω_2,ω_3)).